1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine

C13H20F2N2O — CID 139566334

IUPAC1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine
SMILESCC(C)OC1=CC(F)C(N2CCNCC2)C(F)=C1
InChIInChI=1S/C13H20F2N2O/c1-9(2)18-10-7-11(14)13(12(15)8-10)17-5-3-16-4-6-17/h7-9,11,13,16H,3-6H2,1-2H3
InChIKeyMRHNHXAFRCELAY-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.77
Rot. Bonds3

About 1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine

1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine (PubChem CID 139566334) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine
PubChem CID139566334
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine
SMILESCC(C)OC1=CC(F)C(N2CCNCC2)C(F)=C1
InChIInChI=1S/C13H20F2N2O/c1-9(2)18-10-7-11(14)13(12(15)8-10)17-5-3-16-4-6-17/h7-9,11,13,16H,3-6H2,1-2H3
InChIKeyMRHNHXAFRCELAY-UHFFFAOYSA-N
XLogP1.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine?
The IUPAC name of 1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine (CID 139566334) is 1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine.
What is the SMILES notation for 1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine?
The canonical SMILES for 1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine is CC(C)OC1=CC(F)C(N2CCNCC2)C(F)=C1.
What is the InChIKey of 1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine?
The InChIKey is MRHNHXAFRCELAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-9(2)18-10-7-11(14)13(12(15)8-10)17-5-3-16-4-6-17/h7-9,11,13,16H,3-6H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine?
1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine has a molecular weight of 258.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-propan-2-yloxycyclohexa-2,4-dien-1-yl)piperazine is sourced from PubChem (CID 139566334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).